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2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 8usaWhCN8cy
InChI InChI=1S/C18H15F3N4OS/c1-25-16(12-6-3-2-4-7-12)23-24-17(25)27-11-15(26)22-14-9-5-8-13(10-14)18(19,20)21/h2-10H,11H2,1H3,(H,22,26)
InChIKey JAJGWDHAUONJBZ-UHFFFAOYSA-N
Mol Weight 392.4 g/mol
Molecular Formula C18H15F3N4OS
Exact Mass 392.091867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIv5gbJHcSj
Name 2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Registry Number 299923-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F3N4OS
InChI InChI=1S/C18H15F3N4OS/c1-25-16(12-6-3-2-4-7-12)23-24-17(25)27-11-15(26)22-14-9-5-8-13(10-14)18(19,20)21/h2-10H,11H2,1H3,(H,22,26)
InChIKey JAJGWDHAUONJBZ-UHFFFAOYSA-N
Molecular Weight 392.400 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1ccccc1)C)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0pb9-3960000000-97239b0c18ba74edb7e4
Source of Spectrum AD-0-2532-0
Synonyms 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Acetamide, N-(3-trifluoromethylphenyl)-2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-ylthio)-
Wiley ID 1428923